Interaction of memantine with calf thymus DNA: an in-vitro and in-silico approach and cytotoxic effect on the cancerous cell lines

A detailed insight into the interaction of memantine with bovine serum albumin: A spectroscopic and computational approach

(2020) Faisal Ameen et al.   JOURNAL OF MOLECULAR LIQUIDS

Interaction of thiamethoxam with DNA: Hazardous effect on biochemical and biological parameters of the exposed organism

(2020) Mohd Jameel et al.   CHEMOSPHERE

Insights from molecular dynamics simulations and steered molecular dynamics simulations to exploit new trends of the interaction between HIF-1α and p300

(2019) Zhengfei Yu et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Biological evaluation, molecular docking and DNA interaction studies of coordination compounds gleaned from a pyrazolone incorporated ligand

(2019) Alagarraj Arunadevi et al.   NUCLEOSIDES NUCLEOTIDES & NUCLEIC ACIDS

Identification of small molecule inhibitors of ALK2: a virtual screening, density functional theory, and molecular dynamics simulations study

(2018) Tasneem Kausar et al.   JOURNAL OF MOLECULAR MODELING

Nonionic but water soluble, [Glycine-Pd-Alanine] and [Glycine-Pd-Valine] complexes. Their synthesis, characterization, antitumor activities and rich DNA/HSA interaction studies

(2018) Hassan Mansouri-Torshizi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular spectroscopic and thermodynamic studies on the interaction of anti-platelet drug ticlopidine with calf thymus DNA

(2017) Shumaila Afrin et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Grandivittin as a natural minor groove binder extracted from Ferulago macrocarpa to ct-DNA, experimental and in silico analysis

(2016) F. Ahmadi et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Spectroscopic and structural studies on the interaction of an anticancer β–carboline alkaloid, harmine with GC and AT specific DNA oligonucleotides

(2016) Shweta Sharma et al.   CHEMICO-BIOLOGICAL INTERACTIONS

Studying non-covalent drug–DNA interactions

(2015) Sayeed Ur Rehman et al.   ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS

Interaction of coumarin with calf thymus DNA: Deciphering the mode of binding by in vitro studies

(2015) Tarique Sarwar et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Multi-spectroscopic and molecular modelling studies on the interaction of esculetin with calf thymus DNA

(2015) Tarique Sarwar et al.   Molecular BioSystems

Ibuprofen causes photocleavage through ROS generation and intercalates with DNA: a combined biophysical and molecular docking approach

(2015) Mohammed Amir Husain et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Redox cycling of endogenous copper by ferulic acid leads to cellular DNA breakage and consequent cell death: A putative cancer chemotherapy mechanism

(2015) Tarique Sarwar et al.   TOXICOLOGY AND APPLIED PHARMACOLOGY

Spectroscopic and molecular docking evidence of aspirin and diflunisal binding to DNA: a comparative study

(2015) Mohammed Amir Husain et al.   RSC Advances

Nelfinavir, a new anti-cancer drug with pleiotropic effects and many paths to autophagy

(2014) Joell J. Gills et al.   Autophagy

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Binding mode and thermodynamic studies on the interaction of the anticancer drug dacarbazine and dacarbazine–Cu(II) complex with single and double stranded DNA

(2014) Yassien Temerk et al.   JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS

Design, synthesis, quantum chemical studies and biological activity evaluation of pyrazole–benzimidazole derivatives as potent Aurora A/B kinase inhibitors

(2013) Youguang Zheng et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Naproxen intercalates with DNA and causes photocleavage through ROS generation

(2013) Mohammed A. Husain et al.   FEBS Journal

Drug–DNA interactions and their study by UV–Visible, fluorescence spectroscopies and cyclic voltametry

(2013) Muhammad Sirajuddin et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY

Unveiling the Groove Binding Mechanism of a Biocompatible Naphthalimide-Based Organoselenocyanate with Calf Thymus DNA: An “Ex Vivo” Fluorescence Imaging Application Appended by Biophysical Experiments and Molecular Docking Simulations

(2013) Soumya Sundar Mati et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structure-Based DNA-Targeting Strategies with Small Molecule Ligands for Drug Discovery

(2013) Jia Sheng et al.   MEDICINAL RESEARCH REVIEWS

Molecular Spectroscopy Evidence of Berberine Binding to DNA: Comparative Binding and Thermodynamic Profile of Intercalation

(2012) Xiao-Ling Li et al.   BIOMACROMOLECULES

Synthesis of friedelan triterpenoid analogs with DNA topoisomerase IIα inhibitory activity and their molecular docking studies

(2012) Amitava Mandal et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

(2011) Roman A. Laskowski et al.   Journal of Chemical Information and Modeling

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Bundling and Aggregation of DNA by Cationic Dendrimers

(2010) E. Froehlich et al.   BIOMACROMOLECULES

Diorganotin(IV) derivatives of ONO tridentate Schiff base: Synthesis, crystal structure, in vitro antimicrobial, anti-leishmanial and DNA binding studies

(2010) Shaukat Shujha et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Improved side-chain torsion potentials for the Amber ff99SB protein force field

(2010) Kresten Lindorff-Larsen et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Applications of Isothermal Titration Calorimetry in Biophysical Studies of G-quadruplexes

(2009) Bruno Pagano et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Characteristics of the isomeric flavonoids apigenin and genistein binding to hemoglobin by spectroscopic methods

(2008) Jiang-Lan Yuan et al.   JOURNAL OF MOLECULAR STRUCTURE

Spectroscopic studies on the interaction of pazufloxacin with calf thymus DNA

(2008) Xia Ling et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY